MDPI-ZINC03785416 MOE2007 3D CORINA 3.40 0006 02.08.2006 80 84 0 0 1 0 0 0 0 0999 V2000 0.6600 -0.5700 1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -2.0160 0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -3.0300 1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -3.0740 3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -3.3130 3.0980 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5250 -4.7790 2.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -5.0590 2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -4.1330 1.7620 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3470 -2.6780 1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1880 -1.6460 1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6630 -1.7440 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2160 -3.1840 1.2070 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.9430 -3.5090 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4430 -4.1640 2.1690 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0320 -5.5980 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5610 -5.6740 2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1770 -4.7960 0.9660 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.6420 -5.0870 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8080 -3.2820 1.1900 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.3360 -2.4700 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8060 -2.7160 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1190 -4.1950 -0.5640 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.6010 -4.5200 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6850 -5.1030 0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8180 -6.5810 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6390 -4.9510 1.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5190 -4.2940 -0.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6870 -5.1670 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4590 -2.6830 2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6140 -3.7270 3.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 -2.3690 2.0530 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8270 -1.3490 2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -2.3090 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 -4.6570 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -2.9970 4.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 -1.8160 4.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -2.1770 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -0.3560 1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 0.1490 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -0.3670 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -4.0340 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 -2.7930 2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -3.8610 3.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -2.1360 3.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 -5.0350 1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 -5.4650 3.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 -6.1080 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 -4.9910 3.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7980 -0.6310 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1480 -1.1870 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8820 -1.2020 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7260 -6.0670 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6350 -6.2400 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8250 -6.7260 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9380 -5.4100 3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1950 -1.3950 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7460 -2.7220 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4640 -2.2890 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0630 -2.1680 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6250 -7.2870 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8280 -6.8040 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1200 -6.8040 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7940 -3.9110 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6330 -5.3520 1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2760 -5.4980 2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8810 -1.8630 2.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4440 -2.2510 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6090 -3.4180 3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1280 -2.7740 3.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6570 -3.6280 3.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2090 -4.4690 4.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 -1.5470 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -3.2550 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0530 -5.6440 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 -3.9800 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 -4.7840 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -1.9830 -0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -3.1910 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -1.4800 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5740 -3.9500 5.3920 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 28 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 35 36 2 0 0 0 0 35 80 1 0 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 37 79 1 0 0 0 0 M CHG 1 80 -1 M END